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CAS 57-92-1 Streptomycin molecular structure lightbox
CAS RN: 57-92-1

Streptomycin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS57-92-1
  • Purity/Analytical Methods: >99.0%
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57-92-1 / 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Standard CAS: 57-92-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57-92-1
Multi CAS
Yes
Molecular Formula
C21H39N7O12
Molecular Weight
581.600000
Exact Mass
581.265670
InChI
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m1/s1
InChIKey
UCSJYZPVAKXKNQ-APUVXCOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
15
H-bond donors
12
Molar refractivity
132.92
TPSA
336.43

LogP / Solubility

WLOGP
-8.16
MLOGP
-7.14
XLogP3
-8
Consensus LogP
-7.77
Log S (ESOL)
2.29
Class (ESOL)
Highly soluble
Log S (Ali)
1.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.25
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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